Geometry & MOs

Info

ID:	429893
PubChem CID:	135169947
Reduced:	ClO2F3N7H13C23 (1)
Stoich.:	AB2C3D7E13F23 (1)
Weight, g/mol:	280.24023
ΔH_f, kcal/mol:	-32.86
Dipole, Da:	8.58
IP(EA), eV:	-9.41(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-octylcyclohexyl) 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC=N2)C(=C1)N3C(=C(C=N3)C(=O)NC4=CC(=C(C=C4)N5N=CC(=N5)C=O)Cl)C(F)(F)F

DOS

IR

Vibrations